SCHEMBL3779748

SCHEMBL3779748

[CH2]OCCc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
MTNR1A P48039 2/20 0.46
CYP2D6 P10635 1/20 0.46
NQO2 P16083 1/20 0.45
KCNA5 P22460 1/20 0.45
SCN5A Q14524 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ACP3 P15309 1/20 0.43
CDYL Q9Y232 1/20 0.42
AKR1B1 P15121 1/20 0.42
SLC18A2 Q05940 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2094192 0.89 NQO2 (0.46) CYP1A2CYP2C19CYP2C9MTNR1ACYP2D6
SCHEMBL5013367 0.87 NQO2 (0.45) CYP1A2CYP2C19CYP2C9MTNR1ACYP2D6
SCHEMBL2092985 0.85 NQO2 (0.44) CYP1A2CYP2C19CYP2C9MTNR1ACYP2D6
SCHEMBL586305 0.83 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9MTNR1ACYP2D6
SCHEMBL3047898 0.80 CYP1A2 (0.62) CYP1A2CYP2C19CYP2C9MTNR1ACYP2D6
SCHEMBL16471027 0.80 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9MTNR1ACYP2D6
SCHEMBL791971 0.80 CYP1A2 (0.50) CYP1A2CYP2C19CYP2C9MTNR1ACYP2D6
SCHEMBL17435555 0.80 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9MTNR1ACYP2D6
SCHEMBL30487942 0.80 CYP1A2 (0.50) CYP1A2CYP2C19CYP2C9MTNR1ACYP2D6
SCHEMBL4514414 0.79 CYP1A2 (0.44) CYP1A2CYP2C19CYP2C9MTNR1ACYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029695-A1 METHOD OF TREATING DERMATITIS COMPRISING ADMINISTERING A CHYMASE INHIBITOR ASUBIO PHARMA CO., LTD. (JP) 2010-02-04 US disclosed
US-7618977-B2 Method of treating dermatitis comprising administering a chymase inhibitor ASUBIO PHARMA CO., LTD. (JP) 2009-11-17 US disclosed
EP-1192950-B1 THERAPEUTIC DRUGS FOR DERMATITIS EXHIBITING A BIPHASIC SKIN REACTION CONTAINING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT DAIICHI ASUBIO PHARMA CO LTD (JP) 2006-07-26 EP disclosed
US-6972294-B1 Compounds, their preparation and use NOVO NORDISK, A/S (DK) 2005-12-06 US disclosed
US-20040229899-A1 Compounds useful in the treatment of conditions mediated by peroxisome proliferator-activated receptors (PPAR) JEPPESEN LONE (DK) 2004-11-18 US disclosed
US-6723731-B2 3-(4-(2-(5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLOXY)-ETHOXYL-PHENYL)-2 -ETHOXY-PROPIONIC ACID ETHYL ESTER AS ANTIDIABETIC AGENTS AND TO TREAT OBESITY NOVO NORDISK A/S (DK) 2004-04-20 US disclosed
US-6703401-B2 USEFUL IN THE TREATMENT AND/OR PREVENTION OF CONDITIONS MEDIATED BY CLEAR RECEPTORS, IN PARTICULAR THE PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS (PPAR). NOVO NORDISK A/S (DK) 2004-03-09 US disclosed
US-6683111-B2 SUCH AS 2-ETHOXY-3-(4-(2-XANTHEN-9-YLIDENE-ETHOXY)-PHENYL)-PROPIONIC ACID; FOR TREATING CONDITIONS ASSOCIATED WITH PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS; TREATMENT OF DIABETES/OBESITY NOVO NORDISK A/S (DK) 2004-01-27 US disclosed
US-20030171358-A1 New compounds, their preparation and use JEPPESEN LONE (DK) 2003-09-11 US disclosed
US-6602901-B2 Antidiabetic agents, obesity NOVO NORDISK A/S (DK) 2003-08-05 US disclosed
WO-2000063153-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed
WO-2000063209-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed
WO-2000023417-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
WO-2000023451-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
WO-2000023445-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
WO-2000023425-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
WO-2000023416-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
WO-2000023415-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
US-5814631-A CHYMASE INHIBITOR, CARDIVASCULAR SUNTORY LIMITED (JP) 1998-09-29 US disclosed
EP-0795548-A1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LIMITED (JP) 1997-09-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030171358-A1 New compounds, their preparation and use PPARG, PPARD, PPARA CYP1A2 283/4885CYP2C19 639/4885CYP2C9 896/4885
US-20040229899-A1 Compounds useful in the treatment of conditions mediated by peroxisome proliferator-activated receptors (PPAR) PPARG, PPARA, PPARD CYP1A2 767/4885CYP2C19 2257/4885CYP2C9 2637/4885
US-20100029695-A1 METHOD OF TREATING DERMATITIS COMPRISING ADMINISTERING A CHYMASE INHIBITOR CMA1, DNPEP, SERPINB1 CYP1A2 2786/4885CYP2C19 3319/4885CYP2C9 3908/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.